Recrossings and transition-state theory

Journal of Physical Chemistry A

Volumn 109, Issue 7, 2005, Pages 1400-1404

  Pritchard, Huw O ^a  

^a YORK UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DEGREES OF FREEDOM (MECHANICS); DISSOCIATION; ENERGY CONSERVATION; ISOMERIZATION; POLYNOMIALS; POTENTIAL ENERGY;

INTERNUCLEAR CONFIGURATION; ISOMERIZATION REACTIONS; TRANSITION STATE THEORY; TRANSMISSION COEFFICIENTS;

REACTION KINETICS;

EID: 14544281932     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp045262s     Document Type: Article

References (35)

1. Hayes, R. L.; Fattal, E.; Govind, N.; Carter, E. A. J. Am. Chem. Soc. 2001, 123, 641-657.
2. Mann, D. J.; Hase, W. L. J. Am. Chem. Soc. 2002, 124, 3208-3209.
3. Schork, R.; Köppel, H. J. Chem. Phys. 2001, 115, 7907-7923.
4. Sun, L.; Hase, W. L.; Song, K. J. Am. Chem. Soc. 2001, 123, 5753-5756.
5. Sumpter, B. G.; Thompson, D. L. J. Chem. Phys. 1987, 87, 5809-5819.
6. Press, W. H.; Flannery, B. P.; Teukolsky, S. A.; Vetterling, W. T. Numerical Recipes: The Art of Scientific Computing; Cambridge University Press: Cambridge, 1985.
7. Shen, D.; Pritchard, H. O. J. Chem. Soc., Faraday Trans. 1996, 92, 4357-4360.
8. Pritchard, H. O.; Vatsya, S. R.; Shen, D. J. Chem. Phys. 1999, 110, 9384-9389.
9. Miller, W. H. Faraday Discuss. 1998, 110, 1-21.
10. Shen, D.; Pritchard, H. O. J. Chem. Soc., Faraday Trans. 1991, 87, 3595-3600.
11. (a) Shen, D.; Pritchard, H. O. J. Phys. Chem. 1994, 98, 1743-1745.
12. (b) Shen, D.; Pritchard, H. O. Int. J. Chem. Kinet. 1994, 26, 729-736.
13. (a)Laidler, K. J. Chemical kinetics, 3rd ed.; Harper & Row: New York, 1987; pp 98-106.
14. (b) Laidler, K. J. Chemical Kinetics, 3rd ed.; Harper & Row: New York, 1987; p 280.
15. Pechukas, P.; McLafferty, F. J. J. Chem. Phys. 1973, 58, 1622-1625.
16. Miller, W. H. J. Phys. Chem. A 1998, 102, 793-806.
17. Polanyi, M. Atomic Reactions; Williams and Norgate: London, 1932; pp 14-26.
18. Hirschfelder, J. O.; Eyring, H.; Topley, B. J. Chem. Phys. 1936, 4, 170-177.
19. (a) Glasstone, S.; Laidler, K. J.; Eyring, H. The Theory of Rate Processes; McGraw-Hill: New York, 1941; pp 107-112.
20. (b) Glasstone, S.; Laidler, K. J.; Eyring, H. The Theory of Rate Processes; McGraw-Hill: New York, 1941; pp 207-208.
21. (c) Glasstone, S.; Laidler, K. J.; Eyring, H. The Theory of Rate Processes; McGraw-Hill: New York, 1941; pp 146-148.
22. Hirschfelder, J. O.; Wigner, E. J. Chem. Phys. 1939, 7, 616-628.
23. Eyring, H.; Walter, J.; Kimball, G. E. Quantum Chemistry; Wiley: New York, 1944; pp 299-326.
24. Miller, W. H. J. Chem. Phys. 1976, 65, 2216-2223.
25. Miller, J. A.; Garrett, B. C. Int. J. Chem. Kinet. 1997, 29, 275-287.
26. DeLeon, N.; Berne, B. J. J. Chem. Phys. 1981, 75, 3495-3510.
27. Gray, S. K.; Rice, S. A. J. Chem. Phys. 1987, 86, 2020-2035.
28. Truhlar, D. G.; Gao, J.; Alhambra, C.; Garcia-Viloca, M.; Corchado, J.; Sánchez, M. L.; Villà, J. Acc. Chem. Res. 2002, 35, 341-349.
29. (a) Schiff, L. I. Quantum Mechanics, 2nd ed.; McGraw-Hill: London, 1955; pp 25-27.
30. (b) Schiff, L. I. Quantum Mechanics, 2nd ed.; McGraw-Hill: London, 1955; pp 65-67.
31. Pauling, L.; Wilson, E. B. Introduction to Quantum Mechanics; McGraw-Hill: New York, 1935; pp 73-77.
32. Pritchard, H. O. J. Phys. Chem. 1961, 65, 504-510 (Figure 1).
33. Kemble, E. C. The Fundamental Principles of Quantum Mechanics; Dover: New York, 1937; p 111.
34. Chan, W.-T.; Heck, S. M.; Pritehard, H. O. Phys. Chem. Chem. Phys. 2001, 3, 56-62 (Table A5).
35. Vatsya, S. R.; Pritchard, H. O. Connection between classical and quantum descriptions of evolution. In Causality and Locality in Modern Physics; Kluwer: Dordrecht, 1998; pp 441-450.